SCHEMBL10603569

SCHEMBL10603569

CC[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)C3=CC[C@]12C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP19A1 P11511 11/20 0.32
▸ ATP1A1 P05023 1/20 0.30
▸ ATP1B1 P05026 1/20 0.30
▸ ATP1A3 P13637 1/20 0.30
▸ ATP1B2 P14415 1/20 0.30
▸ ATP1A2 P50993 1/20 0.30
▸ ATP1B3 P54709 1/20 0.30
▸ FXYD2 P54710 1/20 0.30
▸ ATP1A4 Q13733 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10603561 1.00 USP2 (0.36) USP2ALDH1A1TSHRCYP19A1ATP1A1
SCHEMBL19576455 0.82 CYP19A1 (0.46) USP2ALDH1A1TSHRCYP19A1
SCHEMBL19751657 0.79 ALDH1A1 (0.34) USP2ALDH1A1TSHR
SCHEMBL10779047 0.78 ALDH1A1 (0.42) USP2ALDH1A1TSHR
SCHEMBL10779042 0.78 ALDH1A1 (0.42) USP2ALDH1A1TSHR
SCHEMBL30650140 0.75 CDC25A (0.46) USP2ALDH1A1
SCHEMBL5173586 0.75 ALDH1A1 (0.37) USP2ALDH1A1TSHRCYP19A1
SCHEMBL5173686 0.74 ALDH1A1 (0.35) USP2ALDH1A1TSHRCYP19A1
SCHEMBL18994259 0.73 CYP19A1 (0.52) CYP19A1
SCHEMBL22926056 0.73 CYP19A1 (0.52) CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115452991-B Application of Tetradecenoic Acid and Hexadecenoic Aldehyde in Detection of Quarantine Pests 江苏科技大学 2024-07-12 — — CN claimed
CN-115452991-A Application of tetradecenoic acid and hexadecenal in detecting quarantine pests 江苏科技大学 2022-12-09 — — CN claimed
CN-115452991-B Application of Tetradecenoic Acid and Hexadecenoic Aldehyde in Detection of Quarantine Pests 江苏科技大学 2024-07-12 — — CN disclosed
CN-115452991-B Application of Tetradecenoic Acid and Hexadecenoic Aldehyde in Detection of Quarantine Pests 江苏科技大学 2024-07-12 — — CN disclosed
CN-115452991-A Application of tetradecenoic acid and hexadecenal in detecting quarantine pests 江苏科技大学 2022-12-09 — — CN disclosed
EP-0188396-B1 STEROIDS SUBSTITUTED IN POSITION 10, THEIR PREPARATION AND INTERMEDIATES OBTAINED IN THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-08-30 — — EP disclosed
US-4239756-A Fatty aldehydes in the therapy of arteriosclerosis HORRMANN WILHELM 1980-12-16 — — US disclosed
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